1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine

C27H33N3 — CID 10883876

IUPAC1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C27H33N3/c1-2-3-4-11-16-29-17-19-30(20-18-29)27-22-25(23-12-7-5-8-13-23)21-26(28-27)24-14-9-6-10-15-24/h5-10,12-15,21-22H,2-4,11,16-20H2,1H3
InChIKeyDVKVGYCNCGMFLD-UHFFFAOYSA-N
MW399.58 g/mol
LogP6.12
Rot. Bonds8

About 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine

1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine (PubChem CID 10883876) has the molecular formula C27H33N3 and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine.

Molecular Properties

Compound Name1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine
PubChem CID10883876
Molecular FormulaC27H33N3
Molecular Weight399.58 g/mol
Exact Mass399.27
IUPAC Name1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine
SMILESCCCCCCN1CCN(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1
InChIInChI=1S/C27H33N3/c1-2-3-4-11-16-29-17-19-30(20-18-29)27-22-25(23-12-7-5-8-13-23)21-26(28-27)24-14-9-6-10-15-24/h5-10,12-15,21-22H,2-4,11,16-20H2,1H3
InChIKeyDVKVGYCNCGMFLD-UHFFFAOYSA-N
XLogP6.12
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.58
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine?
The IUPAC name of 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine (CID 10883876) is 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine.
What is the SMILES notation for 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine?
The canonical SMILES for 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine is CCCCCCN1CCN(c2cc(-c3ccccc3)cc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine?
The InChIKey is DVKVGYCNCGMFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3/c1-2-3-4-11-16-29-17-19-30(20-18-29)27-22-25(23-12-7-5-8-13-23)21-26(28-27)24-14-9-6-10-15-24/h5-10,12-15,21-22H,2-4,11,16-20H2,1H3.
What are the key properties of 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine?
1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine has a molecular weight of 399.58 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-2-pyridinyl)-4-hexylpiperazine is sourced from PubChem (CID 10883876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).